Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 8.13
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 622.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 269.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.01E-014 (Modified Grain method)
Subcooled liquid VP: 1.95E-011 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.854e-005
log Kow used: 8.13 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0011078 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Esters
Hydrazines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.65E-011 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.948E-010 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.13 (KowWin est)
Log Kaw used: -9.171 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.301
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8777
Biowin2 (Non-Linear Model) : 0.9664
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8043 (months )
Biowin4 (Primary Survey Model) : 3.2890 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0691
Biowin6 (MITI Non-Linear Model): 0.0069
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.0085
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.6E-009 Pa (1.95E-011 mm Hg)
Log Koa (Koawin est ): 17.301
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.15E+003
Octanol/air (Koa) model: 4.91E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 376.6515 E-12 cm3/molecule-sec
Half-Life = 0.028 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 20.446 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.482E+005
Log Koc: 5.171
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 1.639E-003 L/mol-sec
Kb Half-Life at pH 8: 13.400 years
Kb Half-Life at pH 7: 133.996 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 3.263 (BCF = 1834)
log Kow used: 8.13 (estimated)
Volatilization from Water:
Henry LC: 1.65E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.892E+007 hours (3.288E+006 days)
Half-Life from Model Lake : 8.609E+008 hours (3.587E+007 days)
Removal In Wastewater Treatment:
Total removal: 94.02 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.24 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00668 0.682 1000
Water 1.4 1.44e+003 1000
Soil 30.2 2.88e+003 1000
Sediment 68.4 1.3e+004 0
Persistence Time: 4.71e+003 hr